SCHEMBL15049985

SCHEMBL15049985

Clc1ccc(-n2cc(Br)nc2Br)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 12/20 0.43
GABRB2 P47870 12/20 0.43
HCAR1 Q9BXC0 1/20 0.39
NOTUM Q6P988 1/20 0.39
OPRL1 P41146 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR4 O95977 1/20 0.36
CYP11B2 P19099 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27564981 0.70 GABRA2 (0.48) GABRA2GABRB2HCAR1OPRL1L3MBTL1
SCHEMBL24257824 0.66 NOTUM (0.45) GABRA2GABRB2NOTUML3MBTL1
SCHEMBL14996548 0.64 LMNA (0.48) OPRL1L3MBTL1
SCHEMBL28816238 0.63 NOTUM (0.47) GABRA2GABRB2NOTUML3MBTL1
SCHEMBL8047156 0.62 HCAR1 (0.42) GABRA2GABRB2HCAR1NOTUML3MBTL1
SCHEMBL12859450 0.61 LMNA (0.42) L3MBTL1
SCHEMBL3298524 0.61 KDM4E (0.46) GABRA2GABRB2HCAR1NOTUMCYP11B2
SCHEMBL30055522 0.61 NOTUM (0.56) HCAR1NOTUML3MBTL1
SCHEMBL28215980 0.61 NOTUM (0.43) GABRA2GABRB2HCAR1NOTUML3MBTL1
SCHEMBL11023550 0.61 NOTUM (0.56) HCAR1NOTUML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793894-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096642-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096642-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A GABRA2 3457/4885GABRB2 2982/4885HCAR1 288/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.